[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O5/c1-15-19(16(2)28-22-15)13-26-18-9-7-8-17(12-18)21(25)27-14-20(24)23-10-5-3-4-6-11-23/h7-9,12H,3-6,10-11,13-14H2,1-2H3